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Ligand

NameSCHEMBL1671105
Molecular formulaC27H23FN4O
IUPAC name[2-(4-fluorophenyl)phenyl]-(2-quinoxalin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
Molecular weight438.506
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.6
Synonyms2-{5-[(4'-Fluorobiphenyl-2-yl)carbonyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}quinoxaline
US8653263, 28
ACYFNSJZZLHDLT-UHFFFAOYSA-N
CHEMBL3646179
BDBM118375
Inchi KeyACYFNSJZZLHDLT-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H23FN4O/c28-21-11-9-18(10-12-21)22-5-1-2-6-23(22)27(33)32-16-19-14-31(15-20(19)17-32)26-13-29-24-7-3-4-8-25(24)30-26/h1-13,19-20H,14-17H2
PubChem CID52916933
ChEMBLCHEMBL3646179
IUPHARN/A
BindingDB118375
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2027Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
2026Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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